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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -434.0988695 | -434.3370347 | 0.2381652 | 0.0000000 | 434.3370347 | ||||||
| cm-1 | 454.1 | 424.8 | 29.3 | ||||||||
| eV | -11812.431 | 0.056 | -11812.375 | -11818.912 | 0.053 | -11818.859 | 6.481 | 0.004 | 6.484 | 0.000 | 11818.912 |